J AOAC Int. 2023 Dec 23:qsad137. doi: 10.1093/jaoacint/qsad137. Online ahead of print.
ABSTRACT
BACKGROUND: Botanical reference materials (BRMs) generally account for the species, cultivar, and year and location of harvest that result in variability in the chemical composition that may lead to statistically significant differences using chemometric methods.
OBJECTIVE: To Compare the chemical composition of 5 species of Actaea root BRMs, 4 herbal sources of A. racemosa root BRMs, and A. racemosa BRMS, and commercial roots and supplements using chemometric methods and selected pre-processing approaches.
METHODS: Samples were analyzed by flow injection mass spectrometry (FIMS), principal component analysis (PCA), and factorial multivariate analysis of variance (mANOVA).
RESULTS: Statistically significant (p = 0.05) compositional differences were found between 3 genera (Actaea, Panax, and Ginkgo), 5 species of Actaea (A. racemosa, A. cimicifuga, A. dahurica, A. pachypoda, and A. rubra) root BRMs, 4 herbal sources of A. racemosa root BRMs, and A. racemosa BRMS and commercial roots and supplements. The variability of 6% of the BRM variables was found to be quantitatively conserved and reduced the compositional differences between the 4 sources of root BRMs. Compositional overlap of A. racemosa and other Actaea BRMs was influenced by variation in technical repeats, pre-processing methods, selection of variables, and selection of confidence limits. Sensitivity ranged from 94% to 97% and specificity ranged from 21% to 89% for the pre-processing protocols tested.
CONCLUSION: Environmental, genetic, and chemometric factors can influence discrimination between species and authentic botanical reference materials.
HIGHLIGHTS: Frequency distribution plots derived from soft independent modeling of class analogy provide excellent means for understanding the impact of experimental factors.
PMID:38141206 | DOI:10.1093/jaoacint/qsad137
